Dataset

high-resolution electrospray ionisation mass spectrometry (HRESIMS)

dataset for high-resolution electrospray ionisation mass spectrometry (HRESIMS)

Chemical Information

molecular Image
InChI InChI=1S/C19H26N4S/c1-18(2,3)15-9-11-22(20-15)17(14-8-7-13-24-14)23-12-10-16(21-23)19(4,5)6/h7-13,17H,1-6H3
SMILES CC(c1ccn(n1)C(n1ccc(n1)C(C)(C)C)c1cccs1)(C)C
InChI Key QTIQVBQUEFIRBE-UHFFFAOYSA-N
Molecular Formula C19H26N4S
Exact Mass 342.502 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QTIQVBQUEFIRBE-UHFFFAOYSA-N/CHMO0000485
License URL
Source https://www.chemotion-repository.net/inchikey/QTIQVBQUEFIRBE-UHFFFAOYSA-N/CHMO0000485
Version
Author Alexander Hoffmann
Maintainer Chemotion Repository
Language english
MetadataPublished 2021-04-21
Related Molecule
  • 3-tert-butyl-1-[(3-tert-butylpyrazol-1-yl)-thiophen-2-ylmethyl]pyrazole
    • Field Value
    Measurement Technique high-resolution electrospray ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    155885716 PubChem
    The data in this table is sourced from UniChem at EBI.